(2S)-2-[(4-cyanophenyl)methylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(4-cyanophenyl)methylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(4-cyanophenyl)methylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[(4-cyanophenyl)methylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(4-cyanophenyl)methylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(4-cyanobenzyl)amino]-3-methyl-butyric acid Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NCC1=CC=C(C=C1)C#N

InChI

InChI=1S/C13H16N2O2/c1-9(2)12(13(16)17)15-8-11-5-3-10(7-14)4-6-11/h3-6,9,12,15H,8H2,1-2H3,(H,16,17)/t12-/m0/s1